Binding information for 1aaq_ligand_1_13.mol2(FDBF00139)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1aaq_ligand_1_13.mol2 | 1aaq | 1 | -5.09 | C(C(=O)OC)NC=O | 8 |
Structure and binding mode of 1aaq_ligand_1_13.mol2(FDBF00139)
Important binding residues for 1aaq_ligand_1_13.mol2(FDBF00139)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1aaq | ALA28 | -0.46 | -0.79 | -1.25 | 0.30 | -0.94 |
| 1aaq | ILE47 | -1.23 | -1.02 | -2.25 | 0.20 | -2.05 |
